REAL300034166755.mol2 34                                                        
   1       O    -0.49   -35.38    13.00      -3.04      -0.04   -35.42     16
   2       C     0.51    28.50     7.29      87.66       0.64    29.14     16
   3       C     0.40    27.61     4.93      71.24       0.35    27.96     16
   4       F    -0.32   -37.95    16.66      44.97       0.75   -37.21     16
   5       F    -0.51   -54.85    13.72      44.97       0.62   -54.23     16
   6       F    -0.69   -73.05    15.87      44.97       0.71   -72.34     16
   7       F    -0.47   -47.10    13.70      44.97       0.62   -46.48     16
   8       F    -0.68   -75.61    15.88      44.97       0.71   -74.90     16
   9       N    -0.63   -19.72     2.61    -784.25      -2.05   -21.77     16
  10       C     0.07     1.07     6.40      87.17       0.56     1.63     16
  11       C    -0.09    -0.42     6.26     -11.73      -0.07    -0.50     16
  12       H     0.18    -0.62     8.14      -2.39      -0.02    -0.64     16
  13       C    -0.13    -1.18     8.02      31.20       0.25    -0.93     16
  14       C     0.07     1.47     6.32      42.73       0.27     1.74     16
  15       H     0.11     2.70     8.14      -2.39      -0.02     2.68     16
  16       C     0.11     0.73     4.06      43.89       0.18     0.91     16
  17       H     0.18     0.17     7.17      -2.39      -0.02     0.15     16
  18       N    -0.66    -3.86     4.83    -451.01      -2.18    -6.04     16
  19       C     0.56    -0.10     7.81      86.69       0.68     0.57     16
  20       O    -0.47    -1.59    15.31      13.46       0.21    -1.38     16
  21       C     0.29    -2.46     6.69      41.98       0.28    -2.18     16
  22       N    -0.64     6.20    10.83     -77.91      -0.84     5.35     16
  23       S     1.44   -31.75    24.20     -56.49      -1.37   -33.12     16
  24       N    -0.48     8.32    12.18    -177.23      -2.16     6.17     16
  25       C     0.37    -4.18     8.19      85.12       0.70    -3.48     16
  26       O    -0.14     0.56    17.64     -73.81      -1.30    -0.74     16
  27       H     0.14     7.90     7.65      -2.38      -0.02     7.88     16
  28       H     0.12     7.29     7.65      -2.39      -0.02     7.27     16
  29       H     0.09     1.52     8.14      -2.38      -0.02     1.50     16
  30       H     0.11     1.03     7.63      -2.39      -0.02     1.01     16
  31       H     0.08     1.08     8.14      -2.38      -0.02     1.06     16
  32       H     0.15     0.16     7.89      -2.39      -0.02     0.14     16
  33       H     0.42     4.42     6.82     -92.70      -0.63     3.79     16
 Total:         -1.00  -289.12   319.76                 -3.29  -292.41